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Improving small molecule force fields by identifying and characterizing small molecules with inconsistent parameters.
Jordan N. Ehrman
Victoria T. Lim
Caitlin C. Bannan
Nam Thi
Daisy Y. Kyu
David L. Mobley
Published in:
J. Comput. Aided Mol. Des. (2021)
Keyphrases
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small size
real time
information retrieval
artificial intelligence
website
data structure
parameter estimation